SCHEMBL25154331

SCHEMBL25154331

C[C@@H]1[C@H](CC(=O)O)N(C)CCN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
SLC6A9 P48067 1/20 0.39
GBA1 P04062 1/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.39
FFAR1 O14842 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25154443 1.00 CHRM1 (0.42) CHRM1SIGMAR1MAPTSLC6A9GBA1
SCHEMBL25154567 1.00 CHRM1 (0.42) CHRM1SIGMAR1MAPTSLC6A9GBA1
SCHEMBL25154445 1.00 CHRM1 (0.42) CHRM1SIGMAR1MAPTSLC6A9GBA1
SCHEMBL25154564 0.90 GBA1 (0.44) SIGMAR1MAPTSLC6A9GBA1ACHE
SCHEMBL25154627 0.90 GBA1 (0.44) SIGMAR1MAPTSLC6A9GBA1ACHE
SCHEMBL25154559 0.90 GBA1 (0.44) SIGMAR1MAPTSLC6A9GBA1ACHE
SCHEMBL25154626 0.90 GBA1 (0.44) SIGMAR1MAPTSLC6A9GBA1ACHE
SCHEMBL25154579 0.89 CHRM1 (0.42) CHRM1SIGMAR1MAPTSLC6A9GBA1
SCHEMBL25154711 0.89 CHRM1 (0.42) CHRM1SIGMAR1MAPTSLC6A9GBA1
SCHEMBL25154702 0.89 CHRM1 (0.42) CHRM1SIGMAR1MAPTSLC6A9GBA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed